ethyl 2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[2-(4-fluoroanilino)-2-oxoethyl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[[2-(4-fluoroanilino)-2-keto-ethyl]thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O4S/c1-2-28-21(27)13-3-8-18-17(9-13)19(25)10-16(23-18)11-29-12-20(26)24-15-6-4-14(22)5-7-15/h3-10H,2,11-12H2,1H3,(H,23,25)(H,24,26)